(±)-N-(2-hydroxyethyl)-2-[4-(2-methylpropyl)phenyl]propionamide (CED0043145)

Record Information

Version

1.0

Creation Date

2026-04-06 12:00:34 UTC

Update Date

2026-08-19 12:28:53 UTC

SynCED ID

CED0043145

Secondary Accession Numbers

CHEM123879

Identification

Common Name

(±)-N-(2-hydroxyethyl)-2-[4-(2-methylpropyl)phenyl]propionamide

Class

Small Molecule

Description

(±)-N-(2-hydroxyethyl)-2-[4-(2-methylpropyl)phenyl]propionamide is an organic compound with the formula C15H23N1O2 and an average molecular weight of 249.35 g/mol. (±)-N-(2-hydroxyethyl)-2-[4-(2-methylpropyl)phenyl]propionamide belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This substance has been identified in one recorded source: household cleaning and consumer products, specifically non-electric simulated smoking devices.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₃N₁O₂

Average Molecular Mass

249.350 g/mol

Monoisotopic Mass

249.173 g/mol

CAS Registry Number

82821-47-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C15H23NO2/c1-11(2)10-13-4-6-14(7-5-13)12(3)15(18)16-8-9-17/h4-7,11-12,17H,8-10H2,1-3H3,(H,16,18)

InChI Key

JVGUNCHERKJFCM-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2069.0 Log mg/kg [1200:3700]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	Not Available
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	Not Available
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	Not Available
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	Not Available
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	Not Available
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	Not Available
CEDs000612	Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.	Personal care & cosmetics	Not Available
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	Not Available
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	Not Available
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	Not Available
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	Not Available
CEDs000643	Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.	Textiles, leather & furnishings	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.401 Applicability Domain 0.556 Statistical Significance 0.0024 Supporting Reference Compounds 201 E-value 19.0731
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.382 Applicability Domain 0.556 Statistical Significance 0.0019 Supporting Reference Compounds 136 E-value 14.6357
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.556 Statistical Significance 0.0018 Supporting Reference Compounds 106 E-value 14.0907
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.34 Applicability Domain 0.556 Statistical Significance 7.40e-04 Supporting Reference Compounds 50 E-value 5.76084
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.556 Statistical Significance 0.0096 Supporting Reference Compounds 57 E-value 74.8131
Click to view 3D structure	Solute carrier family 22 member 6	Q4U2R8	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.556 Statistical Significance 8.30e-04 Supporting Reference Compounds 26 E-value 6.46149
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.556 Statistical Significance 0.2819 Supporting Reference Compounds 1301 E-value 2194.73
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.282 Low confidence Statistical Significance 0.0736 Supporting Reference Compounds 297 E-value 573.282
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21396	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.268 Low confidence Statistical Significance 0.0227 Supporting Reference Compounds 66 E-value 176.718
Click to view 3D structure	Prostaglandin G/H synthase 2	Q05769	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.556 Statistical Significance 0.012 Supporting Reference Compounds 43 E-value 93.4191
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.3 Statistical Significance 0.024 Supporting Reference Compounds 63 E-value 186.605
Click to view 3D structure	Trace amine-associated receptor 1	Q8HZ64	Macaca mulatta	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.3 Statistical Significance 0.0012 Supporting Reference Compounds 8 E-value 9.03051
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.282 Low confidence Statistical Significance 0.1567 Supporting Reference Compounds 451 E-value 1219.66
Click to view 3D structure	Trace amine-associated receptor 1	Q923Y9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.3 Statistical Significance 0.0063 Supporting Reference Compounds 18 E-value 49.045
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.282 Low confidence Statistical Significance 0.2263 Supporting Reference Compounds 593 E-value 1761.96
Click to view 3D structure	Serine racemase	Q9GZT4	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.245 Low confidence Statistical Significance 0.0105 Supporting Reference Compounds 1 E-value 81.9752
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.282 Low confidence Statistical Significance 0.2493 Supporting Reference Compounds 506 E-value 1941.17
Click to view 3D structure	Neprilysin	P08049	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.259 Low confidence Statistical Significance 0.0455 Supporting Reference Compounds 34 E-value 354.136
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.282 Low confidence Statistical Significance 0.0949 Supporting Reference Compounds 203 E-value 739.178
Click to view 3D structure	Solute carrier family 22 member 6	O35956	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.556 Statistical Significance 0.002 Supporting Reference Compounds 9 E-value 15.4141
Click to view 3D structure	Neprilysin	Q61391	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.24 Low confidence Statistical Significance 0.0265 Supporting Reference Compounds 3 E-value 206.223
Click to view 3D structure	Trace amine-associated receptor 1	Q923Y8	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.3 Statistical Significance 0.0052 Supporting Reference Compounds 18 E-value 40.3259
Click to view 3D structure	Angiotensin-converting enzyme	P12822	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.245 Low confidence Statistical Significance 0.0463 Supporting Reference Compounds 26 E-value 360.364
Click to view 3D structure	Arachidonate 5-lipoxygenase-activating protein	P20292	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.267 Low confidence Statistical Significance 0.0189 Supporting Reference Compounds 34 E-value 147.291
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.262 Low confidence Statistical Significance 0.1119 Supporting Reference Compounds 182 E-value 871.289